Consensus flow list

Identity

Type
Neutral molecule
CAS
51240-95-0
EC
257-077-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Reaction Products Of Neodecanoic Acid (or Neodecanoyl Chloride Derived From Neodecanoic Acid) And 1,1,3,3-tetramethylbutyl Hydroperoxide

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CRJIYMRJTJWVLU-UHFFFAOYSA-N, NWGNVAMBNXCDMP-UHFFFAOYSA-N, XTJYGTVCDMNODS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H36O3/c1-16(2,3)13-11-9-10-12-15(19)20-21-18(7,8)14-17(4,5)6/h9-14H2,1-8H3
IUPAC name chemrof:IUPAC_name 1,1,3,3-Tetramethylbutyl peroxyneodecanoate
Molecular formula chemrof:molecular_formula C18H34O4, C18H36O3
SMILES string chemrof:smiles_string CC(C)(C)CCCCCC(=O)OOC(C)(C)CC(C)(C)C

Known URLs

8

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=51240-95-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.051.871 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20933604 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90965533 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6452377 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/73557412 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82909434 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q82947771 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a55158d2-71b5-4faf-9962-27d3794238bc Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c1405a2c-2ca8-436d-a625-423aed841900 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
d3cf5d3a-327e-471a-9624-9eb87000d4dd Environmental → Air → Indoor EF 3.1 kg 4
d9fb4591-fd6a-4cbe-85e8-5abc6d9877d6 Environmental → Air → Long-term EF 3.1 kg 0
695050fe-db1f-47e1-bba3-5c5fc8f127bb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
abe0fe71-99d8-4d64-ba3e-f74bbfe74735 Environmental → Air → Unknown EF 3.1 kg 4
a8576a06-d3c7-4957-8ecb-af11e6ad06ee Environmental → Ground → Agricultural EF 3.1 kg 4
7de56dd6-bd02-4777-9225-77cfa8c26e96 Environmental → Ground → Non-agricultural EF 3.1 kg 4
579b4de9-be02-4f8f-87ba-c2676696cdf2 Environmental → Ground → Unknown EF 3.1 kg 4
ab8e02e4-73cf-4c96-97f8-1b7274533d82 Environmental → Water → Long-term EF 3.1 kg 0
21982dba-1b99-4c83-a0c7-52f9ee444a7a Environmental → Water → Ocean EF 3.1 kg 4
ed0783cf-4faf-4cf1-88c3-71fba53bec01 Environmental → Water → Surface water EF 3.1 kg 4
8c07a17c-4a2e-48cf-bedf-9b4632b7f966 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a80d3eed8017b809",
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    {
      "@value": "Reaction Products Of Neodecanoic Acid (or Neodecanoyl Chloride Derived From Neodecanoic Acid) And 1,1,3,3-tetramethylbutyl Hydroperoxide",
      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "1,1,3,3-Tetramethylbutyl perneodecanoate",
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    },
    {
      "@value": "2,4,4-Trimethylpentyl-2-peroxy neodecanoate",
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    },
    {
      "@value": "Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester",
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